SCHEMBL29065637

SCHEMBL29065637

CCCCCCCCCc1ccccc1OP(OCCCCC)OCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
LIPG Q9Y5X9 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
PPARA Q07869 2/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
PPARG P37231 1/20 0.42
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6464139 1.00 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL5081708 1.00 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL6855763 1.00 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL5634948 0.97 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL8390721 0.97 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL1487512 0.97 THRA (0.49) THRATHRBLIPGALOX5PTGS2
SCHEMBL31278477 0.97 THRA (0.49) THRATHRBLIPGALOX5PTGS2
SCHEMBL11316084 0.96 THRA (0.49) THRATHRBLIPGALOX5PTGS2
SCHEMBL4709952 0.91 THRA (0.45) THRATHRBLIPGALOX5PTGS2
SCHEMBL3828938 0.91 THRA (0.45) THRATHRBLIPGALOX5PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114426761-B Biodegradable polyester material and method for producing same 财团法人工业技术研究院 2023-09-08 CN disclosed